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1,4-Benzodioxin-6-carboxaldehyde, 3-(3,4-dimethoxyphenyl)-2,3-dihydro-2-(hydroxymethyl)-, trans-(.+-.)-
SpectraBase Compound ID 3H9FN1PsdrU
InChI InChI=1S/C18H18O6/c1-21-13-6-4-12(8-15(13)22-2)18-17(10-20)23-14-5-3-11(9-19)7-16(14)24-18/h3-9,17-18,20H,10H2,1-2H3/t17-,18-/m1/s1
InChIKey AQIYNEAMIVICCP-QZTJIDSGSA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jj6NdmMxjP
Name 1,4-Benzodioxin-6-carboxaldehyde, 3-(3,4-dimethoxyphenyl)-2,3-dihydro-2-(hydroxymethyl)-, trans-(.+-.)-
CAS Registry Number 65479-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-21-13-6-4-12(8-15(13)22-2)18-17(10-20)23-14-5-3-11(9-19)7-16(14)24-18/h3-9,17-18,20H,10H2,1-2H3/t17-,18-/m1/s1
InChIKey AQIYNEAMIVICCP-QZTJIDSGSA-N
Molecular Weight 330.336 g/mol
SMILES OC[C@@]1([C@](Oc2c(O1)ccc(c2)C=O)(c1cc(OC)c(cc1)OC)[H])[H]
SPLASH splash10-0fs6-0901000000-a45ebadf9937a440383b
Source of Spectrum K-110-3670-0
Synonyms (2R,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-carbaldehyde 3t-(3,4-dimethoxyphenyl)-2,3-dihydro-2R-(hydroxymethyl)-1,4-benzodioxin-6-carbaldehyde (2R,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-carboxaldehyde (2R,3R)-3-(3,4-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
Wiley ID 1327775